3-(1,3-benzodioxol-5-ylcarbonyl)-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-6-iodo-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-6-iodo-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-6-iodo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-iodo-3-piperonyloyl-2-thioxo-1H-quinazolin-4-one Formula: C16H9IN2O4S MolecularWeight: 452.22313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N3C(=O)C4=C(C=CC(=C4)I)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N3C(=O)C4=C(C=CC(=C4)I)NC3=S

InChI

InChI=1S/C16H9IN2O4S/c17-9-2-3-11-10(6-9)15(21)19(16(24)18-11)14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6H,7H2,(H,18,24)